Deciphering the reactive pathways of competitive reactions inside carbon nanotubes

HIGHLIGHTS

  • who: Tainah Dorina Marforio and colleagues from the Via France have published the research: Deciphering the Reactive Pathways of Competitive Reactions inside Carbon Nanotubes, in the Journal: Nanomaterials 2023, 8 of /2023/
  • what: To summarize, in this work, the authors show that the confinement of molecules inside CNTs can significantly alter the pathways of chemical reactions.
  • how: The authors examined at the quantum mechanics/molecular mechanics (QM/MM) level the effect of confinement inside CNTs on nucleophilic substitution (SN 2) and elimination (syn-E2 and anti-E2) using as a model system the . . .

     

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